(5S)-5-[(6-bromanyl-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

Systemtic Name: (5S)-5-[(6-bromanyl-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate Openeye Name: (5S)-5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydroisoxazole-3-carboxylate CAS Name: (5S)-5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydroisoxazole-3-carboxylate IUPAC Name: (5S)-5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate Traditional Name: (5S)-5-[(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-2-isoxazoline-3-carboxylate Formula: C14H13BrNO7- MolecularWeight: 387.15952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1OCO2)OC)Br)CC3CC(=NO3)C(=O)[O-]

Isomeric SMILES

COC1=C(C(=C(C2=C1OCO2)OC)Br)C[C@H]3CC(=NO3)C(=O)[O-]

InChI

InChI=1S/C14H14BrNO7/c1-19-10-7(3-6-4-8(14(17)18)16-23-6)9(15)11(20-2)13-12(10)21-5-22-13/h6H,3-5H2,1-2H3,(H,17,18)/p-1/t6-/m0/s1